1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide

C21H15F3N4O2S — CID 51353260

IUPAC1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1)C(F)(F)F
InChIInChI=1S/C21H15F3N4O2S/c22-21(23,24)31(29,30)27-17-8-6-15(7-9-17)19-14-28(18-4-2-1-3-5-18)26-20(19)16-10-12-25-13-11-16/h1-14,27H
InChIKeyLAHKAUSOAVPOIN-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.86
Rot. Bonds5

About 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide

1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide (PubChem CID 51353260) has the molecular formula C21H15F3N4O2S and a molecular weight of 444.44 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
PubChem CID51353260
Molecular FormulaC21H15F3N4O2S
Molecular Weight444.44 g/mol
Exact Mass444.09
IUPAC Name1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1)C(F)(F)F
InChIInChI=1S/C21H15F3N4O2S/c22-21(23,24)31(29,30)27-17-8-6-15(7-9-17)19-14-28(18-4-2-1-3-5-18)26-20(19)16-10-12-25-13-11-16/h1-14,27H
InChIKeyLAHKAUSOAVPOIN-UHFFFAOYSA-N
XLogP4.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide
CID 51353259
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide
CID 51352682
[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353320
N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide
CID 51352613
1,3,4-triphenylpyrazole
CID 555882
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
CID 56951008
N-[[2,6-difluoro-4-[1-[4-(2-hydroxyethyl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]phenyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 51353450
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 51353324
1-[3-[3-(3-chloro-4-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-phenylurea
CID 155517821
4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
CID 67295632

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide (CID 51353260) is 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide is O=S(=O)(Nc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is LAHKAUSOAVPOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2S/c22-21(23,24)31(29,30)27-17-8-6-15(7-9-17)19-14-28(18-4-2-1-3-5-18)26-20(19)16-10-12-25-13-11-16/h1-14,27H.
What are the key properties of 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 444.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 51353260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).